(2S)-2-benzamido-5-oxidanylidene-5-[4-[4-(phenylmethyl)phenyl]sulfonylpiperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-oxidanylidene-5-[4-[4-(phenylmethyl)phenyl]sulfonylpiperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(4-benzylphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-oxo-5-[4-[4-(phenylmethyl)phenyl]sulfonyl-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(4-benzylphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(4-benzylphenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C29H31N3O6S MolecularWeight: 549.63794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O6S/c33-27(16-15-26(29(35)36)30-28(34)24-9-5-2-6-10-24)31-17-19-32(20-18-31)39(37,38)25-13-11-23(12-14-25)21-22-7-3-1-4-8-22/h1-14,26H,15-21H2,(H,30,34)(H,35,36)/t26-/m0/s1